Information card for entry 2226450

Structure parameters

• Chemical name: 8-[(1<i>E</i>)-1-(2-Aminophenyliminio)ethyl]-2-oxo-2<i>H</i>-chromen-7-olate
• Formula: C17 H14 N2 O3
• Calculated formula: C17 H14 N2 O3
• SMILES: c1(c(cccc1)N)/[NH+]=C(C)/c1c(ccc2c1oc(=O)cc2)[O-]
• Title of publication: 8-[(1<i>E</i>)-1-(2-Aminophenyliminio)ethyl]-2-oxo-2<i>H</i>-chromen-7-olate
• Authors of publication: Aazam, E. S.; El Husseiny, A. F.; Al-Amri, H. M.; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1796
• a: 7.5462 ± 0.0003 Å
• b: 18.9324 ± 0.0011 Å
• c: 20.0445 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2863.7 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes